Geometry & MOs

Info

ID:	243985
PubChem CID:	99303116
Reduced:	BrN2O2C21H29 (1)
Stoich.:	AB2C2D21E29 (1)
Weight, g/mol:	419.197569
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	8.13
IP(EA), eV:	-9.14(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2C[C@@H]2C3=CC(=CC=C3)Br

DOS

IR

Vibrations